USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 718 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 ASN : amide:sc= 0.149 K(o=0.98,f=-3.9!) USER MOD Set 1.2: A 96 GLN : amide:sc= 0.835 K(o=0.98,f=-0.68) USER MOD Set 2.1: A 56 THR OG1 : rot -22:sc= 1.15 USER MOD Set 2.2: A 59 ASN : amide:sc= 1.15 K(o=2.3,f=-8!) USER MOD Single : A 30 SER OG : rot 164:sc= 1.07 USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0.787 (180deg=0.756) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -79:sc= 1.09 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 176:sc= -0.154 (180deg=-0.186) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 65 SER OG : rot -25:sc= 0.252 USER MOD Single : A 67 THR OG1 : rot -78:sc= 1.44 USER MOD Single : A 68 ASN : amide:sc= 0.7 K(o=0.7,f=-1.7) USER MOD Single : A 69 ASN : amide:sc= -0.0834 K(o=-0.083,f=-1.3!) USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= 0.0202 (180deg=0.00338) USER MOD Single : A 74 THR OG1 : rot 74:sc= 0.802 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= 0.0626 K(o=0.063,f=-2.2!) USER MOD Single : A 90 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0308) USER MOD Single : A 91 GLN : amide:sc= -0.0523 X(o=-0.052,f=-0.25) USER MOD Single : A 101 SER OG : rot 180:sc= 0.674 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0286 K(o=-0.029,f=-2.6!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.112 K(o=-0.11,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 5.416 6.562 -8.579 1.00 0.00 N ATOM 2 CA GLY A 29 4.862 6.615 -9.918 1.00 0.00 C ATOM 3 C GLY A 29 5.662 5.791 -10.909 1.00 0.00 C ATOM 4 O GLY A 29 6.836 5.502 -10.679 1.00 0.00 O ATOM 0 HA2 GLY A 29 3.833 6.255 -9.897 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.830 7.651 -10.254 1.00 0.00 H new ATOM 10 N SER A 30 5.025 5.412 -12.012 1.00 0.00 N ATOM 11 CA SER A 30 5.146 4.058 -12.538 1.00 0.00 C ATOM 12 C SER A 30 5.319 4.076 -14.053 1.00 0.00 C ATOM 13 O SER A 30 4.352 3.934 -14.801 1.00 0.00 O ATOM 14 CB SER A 30 3.931 3.236 -12.153 1.00 0.00 C ATOM 15 OG SER A 30 2.732 3.886 -12.476 1.00 0.00 O ATOM 0 H SER A 30 4.420 6.024 -12.559 1.00 0.00 H new ATOM 0 HA SER A 30 6.033 3.599 -12.102 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.969 2.273 -12.662 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.956 3.032 -11.082 1.00 0.00 H new ATOM 0 HG SER A 30 1.995 3.240 -12.462 1.00 0.00 H new ATOM 21 N GLU A 31 6.559 4.251 -14.499 1.00 0.00 N ATOM 22 CA GLU A 31 6.905 4.031 -15.898 1.00 0.00 C ATOM 23 C GLU A 31 7.018 2.539 -16.203 1.00 0.00 C ATOM 24 O GLU A 31 7.994 2.091 -16.804 1.00 0.00 O ATOM 25 CB GLU A 31 8.216 4.741 -16.245 1.00 0.00 C ATOM 26 CG GLU A 31 8.147 6.259 -16.170 1.00 0.00 C ATOM 27 CD GLU A 31 9.489 6.882 -16.438 1.00 0.00 C ATOM 28 OE1 GLU A 31 10.431 6.152 -16.640 1.00 0.00 O ATOM 29 OE2 GLU A 31 9.552 8.083 -16.555 1.00 0.00 O ATOM 0 H GLU A 31 7.340 4.544 -13.912 1.00 0.00 H new ATOM 0 HA GLU A 31 6.107 4.448 -16.512 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.995 4.391 -15.568 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.516 4.452 -17.252 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.421 6.628 -16.895 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.794 6.561 -15.184 1.00 0.00 H new ATOM 36 N GLU A 32 6.012 1.778 -15.783 1.00 0.00 N ATOM 37 CA GLU A 32 6.010 0.335 -15.993 1.00 0.00 C ATOM 38 C GLU A 32 4.642 -0.259 -15.666 1.00 0.00 C ATOM 39 O GLU A 32 4.072 0.009 -14.608 1.00 0.00 O ATOM 40 CB GLU A 32 7.093 -0.332 -15.143 1.00 0.00 C ATOM 41 CG GLU A 32 7.232 -1.832 -15.367 1.00 0.00 C ATOM 42 CD GLU A 32 8.316 -2.415 -14.504 1.00 0.00 C ATOM 43 OE1 GLU A 32 8.958 -1.669 -13.804 1.00 0.00 O ATOM 44 OE2 GLU A 32 8.428 -3.617 -14.458 1.00 0.00 O ATOM 0 H GLU A 32 5.190 2.136 -15.297 1.00 0.00 H new ATOM 0 HA GLU A 32 6.225 0.146 -17.045 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.050 0.145 -15.355 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.874 -0.153 -14.090 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.285 -2.324 -15.147 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.456 -2.026 -16.416 1.00 0.00 H new ATOM 51 N LYS A 33 4.120 -1.067 -16.584 1.00 0.00 N ATOM 52 CA LYS A 33 2.701 -1.404 -16.587 1.00 0.00 C ATOM 53 C LYS A 33 2.390 -2.457 -15.528 1.00 0.00 C ATOM 54 O LYS A 33 1.738 -2.167 -14.526 1.00 0.00 O ATOM 55 CB LYS A 33 2.271 -1.899 -17.969 1.00 0.00 C ATOM 56 CG LYS A 33 0.771 -2.121 -18.119 1.00 0.00 C ATOM 57 CD LYS A 33 0.415 -2.552 -19.532 1.00 0.00 C ATOM 58 CE LYS A 33 -1.061 -2.908 -19.648 1.00 0.00 C ATOM 59 NZ LYS A 33 -1.938 -1.724 -19.436 1.00 0.00 N ATOM 0 H LYS A 33 4.658 -1.500 -17.335 1.00 0.00 H new ATOM 0 HA LYS A 33 2.138 -0.501 -16.348 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.596 -1.176 -18.718 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.788 -2.834 -18.184 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.441 -2.881 -17.411 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.239 -1.202 -17.872 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.653 -1.749 -20.230 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.022 -3.412 -19.816 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.256 -3.332 -20.633 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.307 -3.677 -18.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.930 -1.995 -19.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.821 -1.375 -18.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.676 -0.973 -20.106 1.00 0.00 H new ATOM 73 N GLU A 34 2.861 -3.678 -15.758 1.00 0.00 N ATOM 74 CA GLU A 34 2.479 -4.813 -14.927 1.00 0.00 C ATOM 75 C GLU A 34 3.370 -6.018 -15.206 1.00 0.00 C ATOM 76 O GLU A 34 4.108 -6.042 -16.191 1.00 0.00 O ATOM 77 CB GLU A 34 1.010 -5.177 -15.158 1.00 0.00 C ATOM 78 CG GLU A 34 0.682 -5.590 -16.586 1.00 0.00 C ATOM 79 CD GLU A 34 -0.792 -5.825 -16.762 1.00 0.00 C ATOM 80 OE1 GLU A 34 -1.522 -5.621 -15.823 1.00 0.00 O ATOM 81 OE2 GLU A 34 -1.202 -6.098 -17.866 1.00 0.00 O ATOM 0 H GLU A 34 3.508 -3.907 -16.513 1.00 0.00 H new ATOM 0 HA GLU A 34 2.609 -4.525 -13.884 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.740 -5.992 -14.486 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.390 -4.322 -14.888 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.014 -4.814 -17.276 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.230 -6.498 -16.839 1.00 0.00 H new ATOM 88 N GLU A 35 3.298 -7.016 -14.331 1.00 0.00 N ATOM 89 CA GLU A 35 4.079 -8.236 -14.498 1.00 0.00 C ATOM 90 C GLU A 35 3.306 -9.270 -15.311 1.00 0.00 C ATOM 91 O GLU A 35 3.726 -10.422 -15.431 1.00 0.00 O ATOM 92 CB GLU A 35 4.465 -8.817 -13.136 1.00 0.00 C ATOM 93 CG GLU A 35 5.392 -7.932 -12.313 1.00 0.00 C ATOM 94 CD GLU A 35 5.745 -8.578 -11.004 1.00 0.00 C ATOM 95 OE1 GLU A 35 5.313 -9.681 -10.772 1.00 0.00 O ATOM 96 OE2 GLU A 35 6.535 -8.018 -10.282 1.00 0.00 O ATOM 0 H GLU A 35 2.707 -7.004 -13.500 1.00 0.00 H new ATOM 0 HA GLU A 35 4.989 -7.982 -15.041 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.556 -9.002 -12.563 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.947 -9.783 -13.290 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.302 -7.730 -12.878 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.912 -6.971 -12.129 1.00 0.00 H new ATOM 103 N LYS A 36 2.174 -8.850 -15.868 1.00 0.00 N ATOM 104 CA LYS A 36 1.317 -9.751 -16.631 1.00 0.00 C ATOM 105 C LYS A 36 0.765 -10.860 -15.740 1.00 0.00 C ATOM 106 O LYS A 36 0.475 -11.960 -16.210 1.00 0.00 O ATOM 107 CB LYS A 36 2.085 -10.352 -17.809 1.00 0.00 C ATOM 108 CG LYS A 36 2.642 -9.326 -18.787 1.00 0.00 C ATOM 109 CD LYS A 36 3.294 -9.999 -19.984 1.00 0.00 C ATOM 110 CE LYS A 36 3.949 -8.979 -20.905 1.00 0.00 C ATOM 111 NZ LYS A 36 4.572 -9.622 -22.094 1.00 0.00 N ATOM 0 H LYS A 36 1.829 -7.892 -15.805 1.00 0.00 H new ATOM 0 HA LYS A 36 0.479 -9.172 -17.019 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.909 -10.951 -17.422 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.424 -11.030 -18.350 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.839 -8.672 -19.128 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.372 -8.696 -18.279 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.042 -10.713 -19.639 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.545 -10.564 -20.538 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.203 -8.255 -21.233 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.708 -8.426 -20.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.007 -8.893 -22.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.302 -10.294 -21.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.843 -10.129 -22.636 1.00 0.00 H new ATOM 125 N LYS A 37 0.621 -10.563 -14.454 1.00 0.00 N ATOM 126 CA LYS A 37 0.025 -11.504 -13.512 1.00 0.00 C ATOM 127 C LYS A 37 -0.890 -10.784 -12.527 1.00 0.00 C ATOM 128 O LYS A 37 -1.415 -11.392 -11.594 1.00 0.00 O ATOM 129 CB LYS A 37 1.114 -12.271 -12.759 1.00 0.00 C ATOM 130 CG LYS A 37 2.044 -13.082 -13.652 1.00 0.00 C ATOM 131 CD LYS A 37 3.089 -13.824 -12.832 1.00 0.00 C ATOM 132 CE LYS A 37 4.049 -12.858 -12.154 1.00 0.00 C ATOM 133 NZ LYS A 37 5.056 -13.570 -11.319 1.00 0.00 N ATOM 0 H LYS A 37 0.909 -9.677 -14.039 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.575 -12.215 -14.080 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.709 -11.562 -12.184 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.640 -12.943 -12.044 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.461 -13.796 -14.234 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.539 -12.420 -14.362 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.595 -14.437 -12.079 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.647 -14.501 -13.478 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.560 -12.263 -12.911 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.486 -12.164 -11.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.691 -12.877 -10.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.570 -14.118 -10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.611 -14.214 -11.918 1.00 0.00 H new ATOM 147 N VAL A 38 -1.080 -9.486 -12.742 1.00 0.00 N ATOM 148 CA VAL A 38 -1.603 -8.608 -11.702 1.00 0.00 C ATOM 149 C VAL A 38 -2.205 -7.343 -12.303 1.00 0.00 C ATOM 150 O VAL A 38 -2.086 -7.097 -13.504 1.00 0.00 O ATOM 151 CB VAL A 38 -0.511 -8.216 -10.689 1.00 0.00 C ATOM 152 CG1 VAL A 38 -0.209 -9.377 -9.754 1.00 0.00 C ATOM 153 CG2 VAL A 38 0.752 -7.774 -11.412 1.00 0.00 C ATOM 0 H VAL A 38 -0.880 -9.019 -13.627 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.381 -9.166 -11.182 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.879 -7.380 -10.093 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.565 -9.082 -9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.113 -9.651 -9.211 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.138 -10.231 -10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.513 -7.501 -10.681 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.121 -8.591 -12.032 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.528 -6.913 -12.042 1.00 0.00 H new ATOM 163 N ARG A 39 -2.849 -6.542 -11.461 1.00 0.00 N ATOM 164 CA ARG A 39 -3.392 -5.259 -11.891 1.00 0.00 C ATOM 165 C ARG A 39 -2.352 -4.151 -11.747 1.00 0.00 C ATOM 166 O ARG A 39 -1.536 -4.171 -10.826 1.00 0.00 O ATOM 167 CB ARG A 39 -4.684 -4.910 -11.167 1.00 0.00 C ATOM 168 CG ARG A 39 -5.777 -5.963 -11.268 1.00 0.00 C ATOM 169 CD ARG A 39 -6.195 -6.282 -12.656 1.00 0.00 C ATOM 170 NE ARG A 39 -6.688 -5.143 -13.414 1.00 0.00 N ATOM 171 CZ ARG A 39 -7.950 -4.676 -13.358 1.00 0.00 C ATOM 172 NH1 ARG A 39 -8.858 -5.265 -12.613 1.00 0.00 N ATOM 173 NH2 ARG A 39 -8.258 -3.620 -14.092 1.00 0.00 N ATOM 0 H ARG A 39 -3.008 -6.759 -10.477 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.642 -5.351 -12.948 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.459 -4.740 -10.114 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.066 -3.971 -11.567 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.429 -6.877 -10.787 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.648 -5.620 -10.709 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.348 -6.716 -13.187 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.974 -7.044 -12.621 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.032 -4.664 -14.031 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.612 -6.089 -12.065 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.809 -4.898 -12.582 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.548 -3.182 -14.679 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.206 -3.243 -14.071 1.00 0.00 H new ATOM 187 N GLU A 40 -2.389 -3.189 -12.662 1.00 0.00 N ATOM 188 CA GLU A 40 -1.231 -2.343 -12.928 1.00 0.00 C ATOM 189 C GLU A 40 -1.122 -1.230 -11.890 1.00 0.00 C ATOM 190 O GLU A 40 -2.026 -1.034 -11.075 1.00 0.00 O ATOM 191 CB GLU A 40 -1.313 -1.747 -14.335 1.00 0.00 C ATOM 192 CG GLU A 40 -2.433 -0.735 -14.526 1.00 0.00 C ATOM 193 CD GLU A 40 -2.453 -0.201 -15.929 1.00 0.00 C ATOM 194 OE1 GLU A 40 -1.642 -0.622 -16.718 1.00 0.00 O ATOM 195 OE2 GLU A 40 -3.351 0.545 -16.247 1.00 0.00 O ATOM 0 H GLU A 40 -3.208 -2.975 -13.232 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.337 -2.964 -12.863 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.363 -1.267 -14.569 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.446 -2.557 -15.052 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.391 -1.203 -14.299 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.306 0.088 -13.823 1.00 0.00 H new ATOM 202 N LEU A 41 -0.010 -0.504 -11.923 1.00 0.00 N ATOM 203 CA LEU A 41 0.155 0.683 -11.092 1.00 0.00 C ATOM 204 C LEU A 41 -0.378 1.923 -11.803 1.00 0.00 C ATOM 205 O LEU A 41 0.315 2.530 -12.622 1.00 0.00 O ATOM 206 CB LEU A 41 1.631 0.871 -10.720 1.00 0.00 C ATOM 207 CG LEU A 41 2.178 -0.132 -9.696 1.00 0.00 C ATOM 208 CD1 LEU A 41 2.123 -1.542 -10.266 1.00 0.00 C ATOM 209 CD2 LEU A 41 3.606 0.245 -9.329 1.00 0.00 C ATOM 0 H LEU A 41 0.791 -0.717 -12.517 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.421 0.543 -10.177 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.230 0.802 -11.628 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.765 1.878 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 41 1.564 -0.104 -8.796 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.513 -2.247 -9.532 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.090 -1.799 -10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.726 -1.592 -11.173 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.995 -0.467 -8.601 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.229 0.226 -10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.619 1.246 -8.899 1.00 0.00 H new ATOM 221 N THR A 42 -1.613 2.297 -11.485 1.00 0.00 N ATOM 222 CA THR A 42 -2.211 3.507 -12.035 1.00 0.00 C ATOM 223 C THR A 42 -1.982 4.701 -11.114 1.00 0.00 C ATOM 224 O THR A 42 -1.861 4.563 -9.897 1.00 0.00 O ATOM 225 CB THR A 42 -3.722 3.334 -12.271 1.00 0.00 C ATOM 226 OG1 THR A 42 -4.378 3.092 -11.019 1.00 0.00 O ATOM 227 CG2 THR A 42 -3.985 2.169 -13.210 1.00 0.00 C ATOM 0 H THR A 42 -2.219 1.779 -10.849 1.00 0.00 H new ATOM 0 HA THR A 42 -1.724 3.692 -12.992 1.00 0.00 H new ATOM 0 HB THR A 42 -4.111 4.246 -12.723 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.257 2.154 -10.762 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.059 2.062 -13.365 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.497 2.355 -14.167 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.588 1.253 -12.773 1.00 0.00 H new ATOM 235 N PRO A 43 -1.923 5.903 -11.706 1.00 0.00 N ATOM 236 CA PRO A 43 -1.787 7.153 -10.951 1.00 0.00 C ATOM 237 C PRO A 43 -2.952 7.379 -9.994 1.00 0.00 C ATOM 238 O PRO A 43 -2.802 8.038 -8.965 1.00 0.00 O ATOM 239 CB PRO A 43 -1.721 8.233 -12.035 1.00 0.00 C ATOM 240 CG PRO A 43 -2.364 7.607 -13.224 1.00 0.00 C ATOM 241 CD PRO A 43 -1.986 6.151 -13.161 1.00 0.00 C ATOM 0 HA PRO A 43 -0.907 7.152 -10.308 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.248 9.136 -11.728 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.691 8.521 -12.246 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.446 7.734 -13.198 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.012 8.065 -14.148 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.726 5.517 -13.650 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.030 5.958 -13.648 1.00 0.00 H new ATOM 249 N GLN A 44 -4.111 6.830 -10.339 1.00 0.00 N ATOM 250 CA GLN A 44 -5.266 6.859 -9.447 1.00 0.00 C ATOM 251 C GLN A 44 -5.039 5.962 -8.236 1.00 0.00 C ATOM 252 O GLN A 44 -5.174 6.402 -7.094 1.00 0.00 O ATOM 253 CB GLN A 44 -6.530 6.418 -10.190 1.00 0.00 C ATOM 254 CG GLN A 44 -7.791 6.451 -9.344 1.00 0.00 C ATOM 255 CD GLN A 44 -9.022 6.031 -10.125 1.00 0.00 C ATOM 256 OE1 GLN A 44 -8.933 5.656 -11.298 1.00 0.00 O ATOM 257 NE2 GLN A 44 -10.182 6.094 -9.480 1.00 0.00 N ATOM 0 H GLN A 44 -4.277 6.360 -11.229 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.397 7.885 -9.102 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.671 7.062 -11.058 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.383 5.405 -10.565 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.666 5.792 -8.485 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.938 7.458 -8.954 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.210 6.410 -8.511 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.044 5.827 -9.954 1.00 0.00 H new ATOM 266 N GLU A 45 -4.695 4.703 -8.492 1.00 0.00 N ATOM 267 CA GLU A 45 -4.533 3.724 -7.425 1.00 0.00 C ATOM 268 C GLU A 45 -3.393 4.120 -6.490 1.00 0.00 C ATOM 269 O GLU A 45 -3.430 3.838 -5.292 1.00 0.00 O ATOM 270 CB GLU A 45 -4.279 2.332 -8.007 1.00 0.00 C ATOM 271 CG GLU A 45 -5.522 1.643 -8.554 1.00 0.00 C ATOM 272 CD GLU A 45 -5.170 0.363 -9.261 1.00 0.00 C ATOM 273 OE1 GLU A 45 -4.328 0.394 -10.124 1.00 0.00 O ATOM 274 OE2 GLU A 45 -5.661 -0.667 -8.859 1.00 0.00 O ATOM 0 H GLU A 45 -4.523 4.338 -9.429 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.457 3.699 -6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.543 2.414 -8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.840 1.702 -7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.213 1.432 -7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.038 2.312 -9.243 1.00 0.00 H new ATOM 281 N LEU A 46 -2.381 4.776 -7.046 1.00 0.00 N ATOM 282 CA LEU A 46 -1.190 5.134 -6.284 1.00 0.00 C ATOM 283 C LEU A 46 -1.435 6.385 -5.446 1.00 0.00 C ATOM 284 O LEU A 46 -1.044 6.449 -4.282 1.00 0.00 O ATOM 285 CB LEU A 46 0.001 5.345 -7.227 1.00 0.00 C ATOM 286 CG LEU A 46 0.535 4.073 -7.899 1.00 0.00 C ATOM 287 CD1 LEU A 46 1.636 4.429 -8.890 1.00 0.00 C ATOM 288 CD2 LEU A 46 1.055 3.117 -6.836 1.00 0.00 C ATOM 0 H LEU A 46 -2.361 5.071 -8.022 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.959 4.313 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.292 6.052 -8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.812 5.807 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.271 3.584 -8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.009 3.520 -9.362 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.236 5.096 -9.653 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.452 4.926 -8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.434 2.213 -7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.858 3.597 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.245 2.855 -6.155 1.00 0.00 H new ATOM 300 N GLU A 47 -2.086 7.376 -6.049 1.00 0.00 N ATOM 301 CA GLU A 47 -2.304 8.658 -5.388 1.00 0.00 C ATOM 302 C GLU A 47 -3.303 8.518 -4.243 1.00 0.00 C ATOM 303 O GLU A 47 -3.112 9.081 -3.165 1.00 0.00 O ATOM 304 CB GLU A 47 -2.794 9.704 -6.393 1.00 0.00 C ATOM 305 CG GLU A 47 -1.713 10.242 -7.318 1.00 0.00 C ATOM 306 CD GLU A 47 -2.292 11.147 -8.368 1.00 0.00 C ATOM 307 OE1 GLU A 47 -3.491 11.289 -8.406 1.00 0.00 O ATOM 308 OE2 GLU A 47 -1.533 11.784 -9.061 1.00 0.00 O ATOM 0 H GLU A 47 -2.471 7.316 -6.992 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.352 8.990 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.587 9.265 -6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.235 10.537 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.971 10.787 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.195 9.411 -7.797 1.00 0.00 H new ATOM 315 N LEU A 48 -4.370 7.763 -4.486 1.00 0.00 N ATOM 316 CA LEU A 48 -5.385 7.523 -3.468 1.00 0.00 C ATOM 317 C LEU A 48 -4.808 6.729 -2.300 1.00 0.00 C ATOM 318 O LEU A 48 -5.304 6.808 -1.175 1.00 0.00 O ATOM 319 CB LEU A 48 -6.573 6.774 -4.071 1.00 0.00 C ATOM 320 CG LEU A 48 -6.389 5.268 -4.267 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.653 4.525 -2.967 1.00 0.00 C ATOM 322 CD2 LEU A 48 -7.302 4.758 -5.370 1.00 0.00 C ATOM 0 H LEU A 48 -4.553 7.307 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.725 8.489 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.440 6.933 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.805 7.220 -5.038 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.357 5.083 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.517 3.455 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.956 4.870 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.675 4.717 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.157 3.685 -5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.340 4.955 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.064 5.267 -6.304 1.00 0.00 H new ATOM 334 N PHE A 49 -3.756 5.965 -2.573 1.00 0.00 N ATOM 335 CA PHE A 49 -3.085 5.189 -1.537 1.00 0.00 C ATOM 336 C PHE A 49 -2.341 6.102 -0.569 1.00 0.00 C ATOM 337 O PHE A 49 -2.594 6.090 0.636 1.00 0.00 O ATOM 338 CB PHE A 49 -2.109 4.194 -2.168 1.00 0.00 C ATOM 339 CG PHE A 49 -1.429 3.304 -1.166 1.00 0.00 C ATOM 340 CD1 PHE A 49 -2.005 2.103 -0.783 1.00 0.00 C ATOM 341 CD2 PHE A 49 -0.215 3.668 -0.608 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.381 1.283 0.139 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.414 2.852 0.314 1.00 0.00 C ATOM 344 CZ PHE A 49 -0.171 1.658 0.688 1.00 0.00 C ATOM 0 H PHE A 49 -3.350 5.867 -3.503 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.845 4.640 -0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.647 3.575 -2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.352 4.744 -2.726 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.951 1.804 -1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.246 4.601 -0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.840 0.350 0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.361 3.148 0.741 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.317 1.019 1.409 1.00 0.00 H new ATOM 354 N LYS A 50 -1.418 6.898 -1.103 1.00 0.00 N ATOM 355 CA LYS A 50 -0.663 7.845 -0.294 1.00 0.00 C ATOM 356 C LYS A 50 -1.578 8.926 0.276 1.00 0.00 C ATOM 357 O LYS A 50 -1.296 9.501 1.327 1.00 0.00 O ATOM 358 CB LYS A 50 0.457 8.482 -1.119 1.00 0.00 C ATOM 359 CG LYS A 50 -0.026 9.392 -2.240 1.00 0.00 C ATOM 360 CD LYS A 50 1.142 10.012 -2.993 1.00 0.00 C ATOM 361 CE LYS A 50 0.661 11.001 -4.045 1.00 0.00 C ATOM 362 NZ LYS A 50 1.795 11.627 -4.777 1.00 0.00 N ATOM 0 H LYS A 50 -1.176 6.904 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.218 7.298 0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.100 9.057 -0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.070 7.690 -1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.646 8.822 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.654 10.181 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.803 10.519 -2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.727 9.226 -3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.010 10.489 -4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.064 11.778 -3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.426 12.294 -5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.403 12.137 -4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.350 10.888 -5.254 1.00 0.00 H new ATOM 376 N ARG A 51 -2.674 9.195 -0.426 1.00 0.00 N ATOM 377 CA ARG A 51 -3.714 10.075 0.093 1.00 0.00 C ATOM 378 C ARG A 51 -4.354 9.486 1.346 1.00 0.00 C ATOM 379 O ARG A 51 -4.449 10.151 2.377 1.00 0.00 O ATOM 380 CB ARG A 51 -4.758 10.414 -0.962 1.00 0.00 C ATOM 381 CG ARG A 51 -5.847 11.370 -0.499 1.00 0.00 C ATOM 382 CD ARG A 51 -6.826 11.740 -1.553 1.00 0.00 C ATOM 383 NE ARG A 51 -7.872 12.648 -1.112 1.00 0.00 N ATOM 384 CZ ARG A 51 -8.868 13.105 -1.896 1.00 0.00 C ATOM 385 NH1 ARG A 51 -8.938 12.773 -3.166 1.00 0.00 N ATOM 386 NH2 ARG A 51 -9.762 13.917 -1.359 1.00 0.00 N ATOM 0 H ARG A 51 -2.865 8.817 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.234 11.013 0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.254 10.850 -1.824 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.226 9.489 -1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.383 10.915 0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.379 12.278 -0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.290 12.199 -2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.289 10.831 -1.936 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.850 12.961 -0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.231 12.160 -3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.699 13.128 -3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.686 14.181 -0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.528 14.280 -1.927 1.00 0.00 H new ATOM 400 N ALA A 52 -4.789 8.234 1.250 1.00 0.00 N ATOM 401 CA ALA A 52 -5.421 7.556 2.374 1.00 0.00 C ATOM 402 C ALA A 52 -4.442 7.377 3.529 1.00 0.00 C ATOM 403 O ALA A 52 -4.815 7.499 4.696 1.00 0.00 O ATOM 404 CB ALA A 52 -5.974 6.209 1.934 1.00 0.00 C ATOM 0 H ALA A 52 -4.715 7.669 0.404 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.245 8.178 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.443 5.713 2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.713 6.359 1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.162 5.588 1.555 1.00 0.00 H new ATOM 410 N MET A 53 -3.189 7.085 3.197 1.00 0.00 N ATOM 411 CA MET A 53 -2.165 6.853 4.208 1.00 0.00 C ATOM 412 C MET A 53 -1.658 8.174 4.782 1.00 0.00 C ATOM 413 O MET A 53 -0.981 8.196 5.809 1.00 0.00 O ATOM 414 CB MET A 53 -1.006 6.053 3.615 1.00 0.00 C ATOM 415 CG MET A 53 -1.363 4.627 3.222 1.00 0.00 C ATOM 416 SD MET A 53 -1.838 3.613 4.636 1.00 0.00 S ATOM 417 CE MET A 53 -2.330 2.099 3.817 1.00 0.00 C ATOM 0 H MET A 53 -2.858 7.003 2.235 1.00 0.00 H new ATOM 0 HA MET A 53 -2.611 6.277 5.019 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.632 6.577 2.735 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.192 6.024 4.339 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.182 4.647 2.503 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.510 4.168 2.721 1.00 0.00 H new ATOM 0 HE1 MET A 53 -2.583 1.347 4.564 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.198 2.292 3.187 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.508 1.735 3.200 1.00 0.00 H new ATOM 427 N GLY A 54 -1.992 9.271 4.111 1.00 0.00 N ATOM 428 CA GLY A 54 -1.604 10.583 4.596 1.00 0.00 C ATOM 429 C GLY A 54 -0.100 10.771 4.621 1.00 0.00 C ATOM 430 O GLY A 54 0.443 11.368 5.551 1.00 0.00 O ATOM 0 H GLY A 54 -2.524 9.275 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.052 11.348 3.962 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.002 10.728 5.600 1.00 0.00 H new ATOM 434 N ILE A 55 0.576 10.256 3.599 1.00 0.00 N ATOM 435 CA ILE A 55 2.032 10.206 3.596 1.00 0.00 C ATOM 436 C ILE A 55 2.631 11.598 3.431 1.00 0.00 C ATOM 437 O ILE A 55 2.378 12.283 2.439 1.00 0.00 O ATOM 438 CB ILE A 55 2.562 9.292 2.474 1.00 0.00 C ATOM 439 CG1 ILE A 55 2.089 7.852 2.690 1.00 0.00 C ATOM 440 CG2 ILE A 55 4.082 9.353 2.414 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.448 6.916 1.559 1.00 0.00 C ATOM 0 H ILE A 55 0.138 9.868 2.763 1.00 0.00 H new ATOM 0 HA ILE A 55 2.335 9.797 4.560 1.00 0.00 H new ATOM 0 HB ILE A 55 2.165 9.645 1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.522 7.472 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.007 7.851 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.441 8.702 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.397 10.377 2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.497 9.023 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.080 5.915 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.992 7.271 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.531 6.886 1.441 1.00 0.00 H new ATOM 453 N THR A 56 3.428 12.013 4.410 1.00 0.00 N ATOM 454 CA THR A 56 4.029 13.341 4.398 1.00 0.00 C ATOM 455 C THR A 56 5.469 13.288 3.902 1.00 0.00 C ATOM 456 O THR A 56 6.127 12.248 3.942 1.00 0.00 O ATOM 457 CB THR A 56 3.999 13.988 5.794 1.00 0.00 C ATOM 458 OG1 THR A 56 4.859 13.259 6.680 1.00 0.00 O ATOM 459 CG2 THR A 56 2.585 13.988 6.353 1.00 0.00 C ATOM 0 H THR A 56 3.673 11.448 5.223 1.00 0.00 H new ATOM 0 HA THR A 56 3.435 13.949 3.715 1.00 0.00 H new ATOM 0 HB THR A 56 4.344 15.018 5.707 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.986 12.349 6.338 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.584 14.449 7.341 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.931 14.552 5.688 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.225 12.962 6.432 1.00 0.00 H new ATOM 467 N PRO A 57 5.974 14.435 3.425 1.00 0.00 N ATOM 468 CA PRO A 57 7.363 14.561 2.973 1.00 0.00 C ATOM 469 C PRO A 57 8.364 14.313 4.097 1.00 0.00 C ATOM 470 O PRO A 57 9.558 14.144 3.852 1.00 0.00 O ATOM 471 CB PRO A 57 7.449 15.995 2.440 1.00 0.00 C ATOM 472 CG PRO A 57 6.344 16.716 3.135 1.00 0.00 C ATOM 473 CD PRO A 57 5.228 15.713 3.256 1.00 0.00 C ATOM 0 HA PRO A 57 7.617 13.817 2.218 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.417 16.444 2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.324 16.025 1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.662 17.071 4.115 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.027 17.590 2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.582 15.923 4.108 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.593 15.700 2.370 1.00 0.00 H new ATOM 481 N HIS A 58 7.867 14.293 5.331 1.00 0.00 N ATOM 482 CA HIS A 58 8.717 14.054 6.491 1.00 0.00 C ATOM 483 C HIS A 58 8.932 12.559 6.709 1.00 0.00 C ATOM 484 O HIS A 58 9.940 12.144 7.278 1.00 0.00 O ATOM 485 CB HIS A 58 8.111 14.687 7.747 1.00 0.00 C ATOM 486 CG HIS A 58 8.014 16.180 7.682 1.00 0.00 C ATOM 487 ND1 HIS A 58 9.116 17.002 7.800 1.00 0.00 N ATOM 488 CD2 HIS A 58 6.949 16.999 7.514 1.00 0.00 C ATOM 489 CE1 HIS A 58 8.732 18.263 7.706 1.00 0.00 C ATOM 490 NE2 HIS A 58 7.423 18.288 7.531 1.00 0.00 N ATOM 0 H HIS A 58 6.882 14.439 5.552 1.00 0.00 H new ATOM 0 HA HIS A 58 9.684 14.518 6.298 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.115 14.274 7.907 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.714 14.408 8.611 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.920 16.696 7.390 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.379 19.126 7.763 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.856 19.129 7.425 1.00 0.00 H new ATOM 498 N ASN A 59 7.976 11.757 6.251 1.00 0.00 N ATOM 499 CA ASN A 59 8.081 10.306 6.361 1.00 0.00 C ATOM 500 C ASN A 59 7.858 9.640 5.006 1.00 0.00 C ATOM 501 O ASN A 59 7.569 8.447 4.929 1.00 0.00 O ATOM 502 CB ASN A 59 7.106 9.754 7.386 1.00 0.00 C ATOM 503 CG ASN A 59 5.664 10.009 7.049 1.00 0.00 C ATOM 504 OD1 ASN A 59 5.343 10.612 6.019 1.00 0.00 O ATOM 505 ND2 ASN A 59 4.797 9.626 7.953 1.00 0.00 N ATOM 0 H ASN A 59 7.122 12.086 5.801 1.00 0.00 H new ATOM 0 HA ASN A 59 9.092 10.077 6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.263 8.680 7.481 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.326 10.196 8.358 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.805 9.823 7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.114 9.131 8.786 1.00 0.00 H new ATOM 512 N TYR A 60 7.995 10.420 3.939 1.00 0.00 N ATOM 513 CA TYR A 60 7.866 9.896 2.586 1.00 0.00 C ATOM 514 C TYR A 60 8.960 8.874 2.293 1.00 0.00 C ATOM 515 O TYR A 60 8.690 7.793 1.770 1.00 0.00 O ATOM 516 CB TYR A 60 7.918 11.033 1.563 1.00 0.00 C ATOM 517 CG TYR A 60 7.762 10.575 0.130 1.00 0.00 C ATOM 518 CD1 TYR A 60 6.506 10.331 -0.408 1.00 0.00 C ATOM 519 CD2 TYR A 60 8.870 10.389 -0.682 1.00 0.00 C ATOM 520 CE1 TYR A 60 6.357 9.912 -1.715 1.00 0.00 C ATOM 521 CE2 TYR A 60 8.733 9.972 -1.991 1.00 0.00 C ATOM 522 CZ TYR A 60 7.474 9.734 -2.506 1.00 0.00 C ATOM 523 OH TYR A 60 7.333 9.318 -3.810 1.00 0.00 O ATOM 0 H TYR A 60 8.196 11.419 3.986 1.00 0.00 H new ATOM 0 HA TYR A 60 6.900 9.398 2.507 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.131 11.751 1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.868 11.558 1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.629 10.471 0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.857 10.573 -0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.372 9.725 -2.116 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.607 9.832 -2.610 1.00 0.00 H new ATOM 0 HH TYR A 60 8.217 9.243 -4.227 1.00 0.00 H new ATOM 533 N TRP A 61 10.195 9.223 2.636 1.00 0.00 N ATOM 534 CA TRP A 61 11.330 8.335 2.412 1.00 0.00 C ATOM 535 C TRP A 61 11.172 7.040 3.202 1.00 0.00 C ATOM 536 O TRP A 61 11.698 5.998 2.812 1.00 0.00 O ATOM 537 CB TRP A 61 12.637 9.031 2.797 1.00 0.00 C ATOM 538 CG TRP A 61 12.766 9.292 4.267 1.00 0.00 C ATOM 539 CD1 TRP A 61 12.306 10.382 4.944 1.00 0.00 C ATOM 540 CD2 TRP A 61 13.394 8.449 5.240 1.00 0.00 C ATOM 541 NE1 TRP A 61 12.610 10.271 6.279 1.00 0.00 N ATOM 542 CE2 TRP A 61 13.277 9.090 6.485 1.00 0.00 C ATOM 543 CE3 TRP A 61 14.045 7.210 5.176 1.00 0.00 C ATOM 544 CZ2 TRP A 61 13.785 8.544 7.654 1.00 0.00 C ATOM 545 CZ3 TRP A 61 14.551 6.661 6.348 1.00 0.00 C ATOM 546 CH2 TRP A 61 14.425 7.309 7.551 1.00 0.00 C ATOM 0 H TRP A 61 10.436 10.114 3.070 1.00 0.00 H new ATOM 0 HA TRP A 61 11.362 8.088 1.351 1.00 0.00 H new ATOM 0 HB2 TRP A 61 13.476 8.417 2.470 1.00 0.00 H new ATOM 0 HB3 TRP A 61 12.707 9.977 2.261 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.779 11.212 4.496 1.00 0.00 H new ATOM 0 HE1 TRP A 61 12.378 10.955 6.999 1.00 0.00 H new ATOM 0 HE3 TRP A 61 14.151 6.692 4.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.689 9.052 8.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 15.053 5.706 6.311 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.832 6.851 8.441 1.00 0.00 H new ATOM 557 N GLN A 62 10.447 7.115 4.313 1.00 0.00 N ATOM 558 CA GLN A 62 10.141 5.930 5.105 1.00 0.00 C ATOM 559 C GLN A 62 9.167 5.018 4.368 1.00 0.00 C ATOM 560 O GLN A 62 9.347 3.801 4.333 1.00 0.00 O ATOM 561 CB GLN A 62 9.553 6.329 6.462 1.00 0.00 C ATOM 562 CG GLN A 62 10.550 6.979 7.407 1.00 0.00 C ATOM 563 CD GLN A 62 9.926 7.358 8.736 1.00 0.00 C ATOM 564 OE1 GLN A 62 8.733 7.132 8.964 1.00 0.00 O ATOM 565 NE2 GLN A 62 10.726 7.941 9.620 1.00 0.00 N ATOM 0 H GLN A 62 10.061 7.983 4.685 1.00 0.00 H new ATOM 0 HA GLN A 62 11.072 5.386 5.266 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.724 7.017 6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.141 5.441 6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.381 6.295 7.581 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.964 7.870 6.936 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.705 8.108 9.389 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.362 8.222 10.530 1.00 0.00 H new ATOM 574 N TRP A 63 8.136 5.614 3.779 1.00 0.00 N ATOM 575 CA TRP A 63 7.164 4.861 2.996 1.00 0.00 C ATOM 576 C TRP A 63 7.762 4.416 1.666 1.00 0.00 C ATOM 577 O TRP A 63 7.356 3.401 1.101 1.00 0.00 O ATOM 578 CB TRP A 63 5.914 5.708 2.749 1.00 0.00 C ATOM 579 CG TRP A 63 4.896 5.598 3.845 1.00 0.00 C ATOM 580 CD1 TRP A 63 4.784 6.402 4.943 1.00 0.00 C ATOM 581 CD2 TRP A 63 3.848 4.627 3.947 1.00 0.00 C ATOM 582 NE1 TRP A 63 3.732 5.990 5.722 1.00 0.00 N ATOM 583 CE2 TRP A 63 3.141 4.904 5.134 1.00 0.00 C ATOM 584 CE3 TRP A 63 3.439 3.552 3.153 1.00 0.00 C ATOM 585 CZ2 TRP A 63 2.047 4.143 5.542 1.00 0.00 C ATOM 586 CZ3 TRP A 63 2.356 2.799 3.560 1.00 0.00 C ATOM 587 CH2 TRP A 63 1.669 3.097 4.744 1.00 0.00 C ATOM 0 H TRP A 63 7.952 6.616 3.829 1.00 0.00 H new ATOM 0 HA TRP A 63 6.888 3.972 3.563 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.207 6.752 2.638 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.458 5.404 1.807 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.429 7.239 5.166 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.438 6.423 6.598 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.961 3.315 2.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.517 4.370 6.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.032 1.965 2.955 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.824 2.489 5.033 1.00 0.00 H new ATOM 598 N ALA A 64 8.730 5.181 1.172 1.00 0.00 N ATOM 599 CA ALA A 64 9.416 4.839 -0.067 1.00 0.00 C ATOM 600 C ALA A 64 10.214 3.549 0.085 1.00 0.00 C ATOM 601 O ALA A 64 10.183 2.681 -0.788 1.00 0.00 O ATOM 602 CB ALA A 64 10.327 5.979 -0.498 1.00 0.00 C ATOM 0 H ALA A 64 9.057 6.042 1.611 1.00 0.00 H new ATOM 0 HA ALA A 64 8.663 4.680 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.833 5.710 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.733 6.879 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.068 6.166 0.279 1.00 0.00 H new ATOM 608 N SER A 65 10.931 3.429 1.198 1.00 0.00 N ATOM 609 CA SER A 65 11.710 2.230 1.482 1.00 0.00 C ATOM 610 C SER A 65 10.803 1.079 1.903 1.00 0.00 C ATOM 611 O SER A 65 11.139 -0.090 1.720 1.00 0.00 O ATOM 612 CB SER A 65 12.741 2.517 2.557 1.00 0.00 C ATOM 613 OG SER A 65 12.145 2.787 3.796 1.00 0.00 O ATOM 0 H SER A 65 10.988 4.149 1.918 1.00 0.00 H new ATOM 0 HA SER A 65 12.229 1.934 0.570 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.410 1.662 2.655 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.352 3.368 2.255 1.00 0.00 H new ATOM 0 HG SER A 65 11.234 3.120 3.655 1.00 0.00 H new ATOM 619 N ARG A 66 9.651 1.419 2.472 1.00 0.00 N ATOM 620 CA ARG A 66 8.687 0.415 2.906 1.00 0.00 C ATOM 621 C ARG A 66 8.001 -0.232 1.707 1.00 0.00 C ATOM 622 O ARG A 66 7.852 -1.454 1.649 1.00 0.00 O ATOM 623 CB ARG A 66 7.675 0.979 3.894 1.00 0.00 C ATOM 624 CG ARG A 66 6.582 0.009 4.313 1.00 0.00 C ATOM 625 CD ARG A 66 5.574 0.586 5.238 1.00 0.00 C ATOM 626 NE ARG A 66 6.073 0.863 6.577 1.00 0.00 N ATOM 627 CZ ARG A 66 5.442 1.633 7.484 1.00 0.00 C ATOM 628 NH1 ARG A 66 4.309 2.233 7.191 1.00 0.00 N ATOM 629 NH2 ARG A 66 6.003 1.788 8.669 1.00 0.00 N ATOM 0 H ARG A 66 9.363 2.382 2.643 1.00 0.00 H new ATOM 0 HA ARG A 66 9.240 -0.360 3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.206 1.313 4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.209 1.860 3.452 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.073 -0.354 3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.043 -0.855 4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.192 1.512 4.807 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.732 -0.102 5.313 1.00 0.00 H new ATOM 0 HE ARG A 66 6.963 0.445 6.847 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.896 2.118 6.266 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.844 2.813 7.889 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.891 1.330 8.877 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.549 2.365 9.377 1.00 0.00 H new ATOM 643 N THR A 67 7.581 0.594 0.753 1.00 0.00 N ATOM 644 CA THR A 67 6.730 0.132 -0.336 1.00 0.00 C ATOM 645 C THR A 67 7.556 -0.227 -1.565 1.00 0.00 C ATOM 646 O THR A 67 7.024 -0.341 -2.670 1.00 0.00 O ATOM 647 CB THR A 67 5.684 1.194 -0.724 1.00 0.00 C ATOM 648 OG1 THR A 67 6.348 2.398 -1.128 1.00 0.00 O ATOM 649 CG2 THR A 67 4.768 1.496 0.453 1.00 0.00 C ATOM 0 H THR A 67 7.817 1.586 0.713 1.00 0.00 H new ATOM 0 HA THR A 67 6.214 -0.758 0.023 1.00 0.00 H new ATOM 0 HB THR A 67 5.085 0.807 -1.548 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.652 2.886 -0.334 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.036 2.248 0.160 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.251 0.585 0.755 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.360 1.871 1.288 1.00 0.00 H new ATOM 657 N ASN A 68 8.857 -0.407 -1.368 1.00 0.00 N ATOM 658 CA ASN A 68 9.763 -0.702 -2.469 1.00 0.00 C ATOM 659 C ASN A 68 9.567 0.283 -3.616 1.00 0.00 C ATOM 660 O ASN A 68 9.246 -0.110 -4.738 1.00 0.00 O ATOM 661 CB ASN A 68 9.594 -2.127 -2.963 1.00 0.00 C ATOM 662 CG ASN A 68 10.710 -2.598 -3.851 1.00 0.00 C ATOM 663 OD1 ASN A 68 11.590 -1.821 -4.242 1.00 0.00 O ATOM 664 ND2 ASN A 68 10.636 -3.845 -4.240 1.00 0.00 N ATOM 0 H ASN A 68 9.307 -0.353 -0.454 1.00 0.00 H new ATOM 0 HA ASN A 68 10.779 -0.596 -2.090 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.521 -2.793 -2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.653 -2.204 -3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.324 -4.217 -4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.890 -4.446 -3.888 1.00 0.00 H new ATOM 671 N ASN A 69 9.761 1.567 -3.327 1.00 0.00 N ATOM 672 CA ASN A 69 9.589 2.611 -4.331 1.00 0.00 C ATOM 673 C ASN A 69 8.139 2.681 -4.799 1.00 0.00 C ATOM 674 O ASN A 69 7.865 2.962 -5.967 1.00 0.00 O ATOM 675 CB ASN A 69 10.516 2.402 -5.514 1.00 0.00 C ATOM 676 CG ASN A 69 10.788 3.656 -6.297 1.00 0.00 C ATOM 677 OD1 ASN A 69 10.754 4.769 -5.760 1.00 0.00 O ATOM 678 ND2 ASN A 69 10.974 3.489 -7.582 1.00 0.00 N ATOM 0 H ASN A 69 10.037 1.909 -2.406 1.00 0.00 H new ATOM 0 HA ASN A 69 9.850 3.560 -3.863 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.462 1.995 -5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.080 1.656 -6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.099 4.299 -8.189 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.994 2.549 -7.976 1.00 0.00 H new ATOM 685 N PHE A 70 7.213 2.426 -3.881 1.00 0.00 N ATOM 686 CA PHE A 70 5.790 2.497 -4.191 1.00 0.00 C ATOM 687 C PHE A 70 5.460 1.668 -5.427 1.00 0.00 C ATOM 688 O PHE A 70 4.713 2.106 -6.302 1.00 0.00 O ATOM 689 CB PHE A 70 5.357 3.950 -4.397 1.00 0.00 C ATOM 690 CG PHE A 70 5.478 4.799 -3.164 1.00 0.00 C ATOM 691 CD1 PHE A 70 4.471 4.809 -2.211 1.00 0.00 C ATOM 692 CD2 PHE A 70 6.598 5.589 -2.955 1.00 0.00 C ATOM 693 CE1 PHE A 70 4.579 5.590 -1.075 1.00 0.00 C ATOM 694 CE2 PHE A 70 6.709 6.371 -1.820 1.00 0.00 C ATOM 695 CZ PHE A 70 5.699 6.372 -0.881 1.00 0.00 C ATOM 0 H PHE A 70 7.422 2.168 -2.917 1.00 0.00 H new ATOM 0 HA PHE A 70 5.240 2.085 -3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.961 4.390 -5.191 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.322 3.966 -4.738 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.592 4.199 -2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.392 5.594 -3.687 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.787 5.588 -0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.587 6.981 -1.669 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.785 6.984 0.005 1.00 0.00 H new ATOM 705 N LYS A 71 6.022 0.466 -5.493 1.00 0.00 N ATOM 706 CA LYS A 71 5.667 -0.490 -6.538 1.00 0.00 C ATOM 707 C LYS A 71 4.595 -1.456 -6.047 1.00 0.00 C ATOM 708 O LYS A 71 4.873 -2.628 -5.784 1.00 0.00 O ATOM 709 CB LYS A 71 6.904 -1.263 -7.000 1.00 0.00 C ATOM 710 CG LYS A 71 7.961 -0.406 -7.686 1.00 0.00 C ATOM 711 CD LYS A 71 7.357 0.421 -8.812 1.00 0.00 C ATOM 712 CE LYS A 71 7.062 -0.437 -10.033 1.00 0.00 C ATOM 713 NZ LYS A 71 8.287 -0.713 -10.830 1.00 0.00 N ATOM 0 H LYS A 71 6.726 0.130 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 71 5.266 0.067 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.355 -1.753 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.591 -2.050 -7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.426 0.256 -6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.749 -1.046 -8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.437 0.893 -8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.043 1.222 -9.086 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.617 -1.380 -9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.327 0.067 -10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.018 -0.992 -11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.876 0.143 -10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.825 -1.483 -10.384 1.00 0.00 H new ATOM 727 N LEU A 72 3.369 -0.960 -5.925 1.00 0.00 N ATOM 728 CA LEU A 72 2.274 -1.751 -5.371 1.00 0.00 C ATOM 729 C LEU A 72 1.556 -2.530 -6.467 1.00 0.00 C ATOM 730 O LEU A 72 1.189 -1.970 -7.503 1.00 0.00 O ATOM 731 CB LEU A 72 1.289 -0.843 -4.624 1.00 0.00 C ATOM 732 CG LEU A 72 1.899 -0.010 -3.489 1.00 0.00 C ATOM 733 CD1 LEU A 72 0.878 0.993 -2.971 1.00 0.00 C ATOM 734 CD2 LEU A 72 2.362 -0.934 -2.372 1.00 0.00 C ATOM 0 H LEU A 72 3.107 -0.014 -6.202 1.00 0.00 H new ATOM 0 HA LEU A 72 2.693 -2.469 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.828 -0.166 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.492 -1.461 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 72 2.759 0.543 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.320 1.579 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.577 1.658 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.004 0.461 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.795 -0.342 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.511 -1.499 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.112 -1.625 -2.758 1.00 0.00 H new ATOM 746 N LEU A 73 1.354 -3.821 -6.233 1.00 0.00 N ATOM 747 CA LEU A 73 0.553 -4.646 -7.133 1.00 0.00 C ATOM 748 C LEU A 73 -0.661 -5.218 -6.409 1.00 0.00 C ATOM 749 O LEU A 73 -0.649 -5.384 -5.189 1.00 0.00 O ATOM 750 CB LEU A 73 1.408 -5.774 -7.723 1.00 0.00 C ATOM 751 CG LEU A 73 2.613 -5.314 -8.551 1.00 0.00 C ATOM 752 CD1 LEU A 73 3.575 -6.477 -8.765 1.00 0.00 C ATOM 753 CD2 LEU A 73 2.133 -4.761 -9.885 1.00 0.00 C ATOM 0 H LEU A 73 1.733 -4.320 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 73 0.195 -4.016 -7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.766 -6.402 -6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.773 -6.399 -8.351 1.00 0.00 H new ATOM 0 HG LEU A 73 3.143 -4.527 -8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.428 -6.140 -9.354 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.923 -6.843 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.063 -7.280 -9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.991 -4.434 -10.473 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.595 -5.538 -10.429 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.469 -3.914 -9.710 1.00 0.00 H new ATOM 765 N THR A 74 -1.708 -5.524 -7.170 1.00 0.00 N ATOM 766 CA THR A 74 -2.907 -6.136 -6.610 1.00 0.00 C ATOM 767 C THR A 74 -3.699 -6.873 -7.683 1.00 0.00 C ATOM 768 O THR A 74 -3.615 -6.544 -8.867 1.00 0.00 O ATOM 769 CB THR A 74 -3.816 -5.088 -5.941 1.00 0.00 C ATOM 770 OG1 THR A 74 -4.852 -5.751 -5.206 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.444 -4.181 -6.988 1.00 0.00 C ATOM 0 H THR A 74 -1.750 -5.358 -8.176 1.00 0.00 H new ATOM 0 HA THR A 74 -2.575 -6.848 -5.855 1.00 0.00 H new ATOM 0 HB THR A 74 -3.212 -4.482 -5.266 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.477 -6.137 -4.387 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.083 -3.447 -6.497 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.659 -3.666 -7.542 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.041 -4.779 -7.677 1.00 0.00 H new ATOM 779 N ASP A 75 -4.468 -7.871 -7.263 1.00 0.00 N ATOM 780 CA ASP A 75 -5.248 -8.680 -8.194 1.00 0.00 C ATOM 781 C ASP A 75 -6.465 -9.282 -7.500 1.00 0.00 C ATOM 782 O ASP A 75 -6.403 -10.385 -6.961 1.00 0.00 O ATOM 783 CB ASP A 75 -4.382 -9.788 -8.798 1.00 0.00 C ATOM 784 CG ASP A 75 -5.065 -10.593 -9.895 1.00 0.00 C ATOM 785 OD1 ASP A 75 -6.235 -10.385 -10.116 1.00 0.00 O ATOM 786 OD2 ASP A 75 -4.382 -11.290 -10.606 1.00 0.00 O ATOM 0 H ASP A 75 -4.569 -8.140 -6.284 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.596 -8.031 -8.998 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.474 -9.342 -9.203 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.076 -10.467 -8.003 1.00 0.00 H new ATOM 791 N GLY A 76 -7.575 -8.548 -7.521 1.00 0.00 N ATOM 792 CA GLY A 76 -8.804 -9.046 -6.931 1.00 0.00 C ATOM 793 C GLY A 76 -8.691 -9.236 -5.431 1.00 0.00 C ATOM 794 O GLY A 76 -9.486 -9.958 -4.830 1.00 0.00 O ATOM 0 H GLY A 76 -7.644 -7.619 -7.936 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.615 -8.350 -7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.068 -9.996 -7.396 1.00 0.00 H new ATOM 798 N GLU A 77 -7.700 -8.589 -4.827 1.00 0.00 N ATOM 799 CA GLU A 77 -7.383 -8.819 -3.421 1.00 0.00 C ATOM 800 C GLU A 77 -6.857 -7.546 -2.766 1.00 0.00 C ATOM 801 O GLU A 77 -6.945 -6.459 -3.339 1.00 0.00 O ATOM 802 CB GLU A 77 -6.360 -9.948 -3.278 1.00 0.00 C ATOM 803 CG GLU A 77 -6.881 -11.322 -3.675 1.00 0.00 C ATOM 804 CD GLU A 77 -5.817 -12.374 -3.524 1.00 0.00 C ATOM 805 OE1 GLU A 77 -4.720 -12.033 -3.150 1.00 0.00 O ATOM 806 OE2 GLU A 77 -6.129 -13.532 -3.671 1.00 0.00 O ATOM 0 H GLU A 77 -7.103 -7.902 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.302 -9.113 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.489 -9.712 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.022 -9.986 -2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.741 -11.580 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.227 -11.297 -4.708 1.00 0.00 H new ATOM 813 N TRP A 78 -6.311 -7.687 -1.564 1.00 0.00 N ATOM 814 CA TRP A 78 -5.570 -6.604 -0.929 1.00 0.00 C ATOM 815 C TRP A 78 -4.405 -6.155 -1.806 1.00 0.00 C ATOM 816 O TRP A 78 -3.976 -6.878 -2.704 1.00 0.00 O ATOM 817 CB TRP A 78 -5.050 -7.048 0.440 1.00 0.00 C ATOM 818 CG TRP A 78 -4.058 -8.167 0.364 1.00 0.00 C ATOM 819 CD1 TRP A 78 -3.669 -8.847 -0.756 1.00 0.00 C ATOM 820 CD2 TRP A 78 -3.328 -8.740 1.454 1.00 0.00 C ATOM 821 NE1 TRP A 78 -2.743 -9.806 -0.428 1.00 0.00 N ATOM 822 CE2 TRP A 78 -2.516 -9.761 0.922 1.00 0.00 C ATOM 823 CE3 TRP A 78 -3.279 -8.488 2.828 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -1.668 -10.528 1.716 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -2.438 -9.252 3.615 1.00 0.00 C ATOM 826 CH2 TRP A 78 -1.641 -10.261 3.058 1.00 0.00 C ATOM 0 H TRP A 78 -6.368 -8.541 -1.009 1.00 0.00 H new ATOM 0 HA TRP A 78 -6.249 -5.761 -0.797 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.588 -6.196 0.939 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.893 -7.360 1.057 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.037 -8.657 -1.754 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -2.297 -10.448 -1.083 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.887 -7.711 3.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.053 -11.306 1.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -2.394 -9.068 4.678 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.993 -10.839 3.700 1.00 0.00 H new ATOM 837 N VAL A 79 -3.899 -4.955 -1.539 1.00 0.00 N ATOM 838 CA VAL A 79 -2.719 -4.453 -2.233 1.00 0.00 C ATOM 839 C VAL A 79 -1.441 -4.840 -1.497 1.00 0.00 C ATOM 840 O VAL A 79 -1.324 -4.636 -0.287 1.00 0.00 O ATOM 841 CB VAL A 79 -2.766 -2.921 -2.390 1.00 0.00 C ATOM 842 CG1 VAL A 79 -1.520 -2.421 -3.109 1.00 0.00 C ATOM 843 CG2 VAL A 79 -4.018 -2.501 -3.145 1.00 0.00 C ATOM 0 H VAL A 79 -4.287 -4.313 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.717 -4.911 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.795 -2.474 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.569 -1.337 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.635 -2.691 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.463 -2.877 -4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.035 -1.416 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.017 -2.958 -4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.901 -2.828 -2.596 1.00 0.00 H new ATOM 853 N TRP A 80 -0.486 -5.397 -2.233 1.00 0.00 N ATOM 854 CA TRP A 80 0.776 -5.833 -1.644 1.00 0.00 C ATOM 855 C TRP A 80 1.959 -5.169 -2.341 1.00 0.00 C ATOM 856 O TRP A 80 1.866 -4.776 -3.504 1.00 0.00 O ATOM 857 CB TRP A 80 0.906 -7.354 -1.721 1.00 0.00 C ATOM 858 CG TRP A 80 1.040 -7.873 -3.121 1.00 0.00 C ATOM 859 CD1 TRP A 80 2.179 -7.922 -3.868 1.00 0.00 C ATOM 860 CD2 TRP A 80 -0.001 -8.418 -3.942 1.00 0.00 C ATOM 861 NE1 TRP A 80 1.914 -8.460 -5.103 1.00 0.00 N ATOM 862 CE2 TRP A 80 0.579 -8.775 -5.170 1.00 0.00 C ATOM 863 CE3 TRP A 80 -1.372 -8.639 -3.752 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -0.155 -9.336 -6.204 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -2.107 -9.203 -4.788 1.00 0.00 C ATOM 866 CH2 TRP A 80 -1.514 -9.542 -5.979 1.00 0.00 C ATOM 0 H TRP A 80 -0.561 -5.557 -3.238 1.00 0.00 H new ATOM 0 HA TRP A 80 0.781 -5.533 -0.596 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.775 -7.666 -1.142 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.032 -7.809 -1.255 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.150 -7.586 -3.536 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.596 -8.602 -5.848 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.848 -8.376 -2.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.307 -9.602 -7.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -3.164 -9.378 -4.654 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.117 -9.979 -6.761 1.00 0.00 H new ATOM 877 N VAL A 81 3.070 -5.047 -1.622 1.00 0.00 N ATOM 878 CA VAL A 81 4.279 -4.449 -2.181 1.00 0.00 C ATOM 879 C VAL A 81 5.079 -5.471 -2.980 1.00 0.00 C ATOM 880 O VAL A 81 5.343 -6.575 -2.504 1.00 0.00 O ATOM 881 CB VAL A 81 5.174 -3.861 -1.074 1.00 0.00 C ATOM 882 CG1 VAL A 81 6.458 -3.301 -1.669 1.00 0.00 C ATOM 883 CG2 VAL A 81 4.426 -2.790 -0.296 1.00 0.00 C ATOM 0 H VAL A 81 3.159 -5.353 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 81 3.959 -3.646 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 81 5.439 -4.660 -0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.079 -2.890 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.001 -4.098 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.215 -2.514 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.074 -2.386 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.129 -1.989 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.538 -3.226 0.162 1.00 0.00 H new ATOM 893 N GLU A 82 5.465 -5.094 -4.193 1.00 0.00 N ATOM 894 CA GLU A 82 6.326 -5.934 -5.017 1.00 0.00 C ATOM 895 C GLU A 82 7.590 -6.328 -4.256 1.00 0.00 C ATOM 896 O GLU A 82 8.293 -5.475 -3.715 1.00 0.00 O ATOM 897 CB GLU A 82 6.695 -5.216 -6.317 1.00 0.00 C ATOM 898 CG GLU A 82 7.554 -6.036 -7.268 1.00 0.00 C ATOM 899 CD GLU A 82 7.862 -5.271 -8.525 1.00 0.00 C ATOM 900 OE1 GLU A 82 7.364 -4.181 -8.671 1.00 0.00 O ATOM 901 OE2 GLU A 82 8.683 -5.725 -9.287 1.00 0.00 O ATOM 0 H GLU A 82 5.195 -4.212 -4.628 1.00 0.00 H new ATOM 0 HA GLU A 82 5.775 -6.841 -5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.778 -4.929 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.224 -4.295 -6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.484 -6.315 -6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.038 -6.962 -7.521 1.00 0.00 H new ATOM 908 N GLY A 83 7.871 -7.627 -4.219 1.00 0.00 N ATOM 909 CA GLY A 83 9.026 -8.114 -3.489 1.00 0.00 C ATOM 910 C GLY A 83 8.657 -8.717 -2.148 1.00 0.00 C ATOM 911 O GLY A 83 9.468 -9.394 -1.519 1.00 0.00 O ATOM 0 H GLY A 83 7.320 -8.350 -4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.542 -8.863 -4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.726 -7.293 -3.334 1.00 0.00 H new ATOM 915 N TYR A 84 7.426 -8.470 -1.712 1.00 0.00 N ATOM 916 CA TYR A 84 6.939 -9.019 -0.452 1.00 0.00 C ATOM 917 C TYR A 84 5.727 -9.917 -0.681 1.00 0.00 C ATOM 918 O TYR A 84 4.954 -10.181 0.241 1.00 0.00 O ATOM 919 CB TYR A 84 6.585 -7.893 0.523 1.00 0.00 C ATOM 920 CG TYR A 84 7.763 -7.032 0.920 1.00 0.00 C ATOM 921 CD1 TYR A 84 8.629 -7.433 1.926 1.00 0.00 C ATOM 922 CD2 TYR A 84 8.005 -5.821 0.288 1.00 0.00 C ATOM 923 CE1 TYR A 84 9.708 -6.651 2.292 1.00 0.00 C ATOM 924 CE2 TYR A 84 9.082 -5.031 0.646 1.00 0.00 C ATOM 925 CZ TYR A 84 9.929 -5.450 1.650 1.00 0.00 C ATOM 926 OH TYR A 84 11.002 -4.667 2.012 1.00 0.00 O ATOM 0 H TYR A 84 6.749 -7.894 -2.212 1.00 0.00 H new ATOM 0 HA TYR A 84 7.736 -9.622 -0.017 1.00 0.00 H new ATOM 0 HB2 TYR A 84 5.822 -7.260 0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.147 -8.328 1.421 1.00 0.00 H new ATOM 0 HD1 TYR A 84 8.457 -8.372 2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.341 -5.490 -0.497 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.375 -6.978 3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.259 -4.092 0.142 1.00 0.00 H new ATOM 0 HH TYR A 84 11.015 -3.856 1.462 1.00 0.00 H new ATOM 936 N GLU A 85 5.569 -10.383 -1.915 1.00 0.00 N ATOM 937 CA GLU A 85 4.579 -11.409 -2.222 1.00 0.00 C ATOM 938 C GLU A 85 4.860 -12.688 -1.438 1.00 0.00 C ATOM 939 O GLU A 85 3.986 -13.540 -1.286 1.00 0.00 O ATOM 940 CB GLU A 85 4.560 -11.704 -3.723 1.00 0.00 C ATOM 941 CG GLU A 85 5.849 -12.307 -4.264 1.00 0.00 C ATOM 942 CD GLU A 85 6.852 -11.238 -4.602 1.00 0.00 C ATOM 943 OE1 GLU A 85 6.562 -10.087 -4.381 1.00 0.00 O ATOM 944 OE2 GLU A 85 7.950 -11.578 -4.974 1.00 0.00 O ATOM 0 H GLU A 85 6.113 -10.067 -2.718 1.00 0.00 H new ATOM 0 HA GLU A 85 3.600 -11.032 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.737 -12.386 -3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.353 -10.778 -4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.273 -12.987 -3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.631 -12.899 -5.153 1.00 0.00 H new ATOM 951 N GLU A 86 6.087 -12.814 -0.941 1.00 0.00 N ATOM 952 CA GLU A 86 6.426 -13.876 -0.002 1.00 0.00 C ATOM 953 C GLU A 86 5.546 -13.803 1.244 1.00 0.00 C ATOM 954 O GLU A 86 5.142 -14.828 1.793 1.00 0.00 O ATOM 955 CB GLU A 86 7.903 -13.797 0.387 1.00 0.00 C ATOM 956 CG GLU A 86 8.356 -14.878 1.359 1.00 0.00 C ATOM 957 CD GLU A 86 9.821 -14.752 1.672 1.00 0.00 C ATOM 958 OE1 GLU A 86 10.449 -13.870 1.139 1.00 0.00 O ATOM 959 OE2 GLU A 86 10.289 -15.466 2.528 1.00 0.00 O ATOM 0 H GLU A 86 6.862 -12.193 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 86 6.245 -14.832 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.508 -13.862 -0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.097 -12.821 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.778 -14.807 2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.156 -15.861 0.932 1.00 0.00 H new ATOM 966 N HIS A 87 5.256 -12.583 1.684 1.00 0.00 N ATOM 967 CA HIS A 87 4.586 -12.371 2.962 1.00 0.00 C ATOM 968 C HIS A 87 3.082 -12.583 2.828 1.00 0.00 C ATOM 969 O HIS A 87 2.352 -12.567 3.821 1.00 0.00 O ATOM 970 CB HIS A 87 4.871 -10.963 3.484 1.00 0.00 C ATOM 971 CG HIS A 87 6.312 -10.729 3.822 1.00 0.00 C ATOM 972 ND1 HIS A 87 6.731 -9.730 4.675 1.00 0.00 N ATOM 973 CD2 HIS A 87 7.432 -11.375 3.420 1.00 0.00 C ATOM 974 CE1 HIS A 87 8.048 -9.769 4.780 1.00 0.00 C ATOM 975 NE2 HIS A 87 8.497 -10.757 4.028 1.00 0.00 N ATOM 0 H HIS A 87 5.474 -11.727 1.175 1.00 0.00 H new ATOM 0 HA HIS A 87 4.975 -13.099 3.674 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.560 -10.236 2.733 1.00 0.00 H new ATOM 0 HB3 HIS A 87 4.264 -10.784 4.372 1.00 0.00 H new ATOM 0 HD1 HIS A 87 6.121 -9.065 5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 87 7.479 -12.218 2.747 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.654 -9.105 5.379 1.00 0.00 H new ATOM 983 N ILE A 88 2.624 -12.778 1.596 1.00 0.00 N ATOM 984 CA ILE A 88 1.216 -13.060 1.340 1.00 0.00 C ATOM 985 C ILE A 88 0.812 -14.410 1.922 1.00 0.00 C ATOM 986 O ILE A 88 1.423 -15.435 1.621 1.00 0.00 O ATOM 987 CB ILE A 88 0.901 -13.044 -0.167 1.00 0.00 C ATOM 988 CG1 ILE A 88 1.116 -11.643 -0.743 1.00 0.00 C ATOM 989 CG2 ILE A 88 -0.523 -13.514 -0.418 1.00 0.00 C ATOM 990 CD1 ILE A 88 0.962 -11.569 -2.245 1.00 0.00 C ATOM 0 H ILE A 88 3.207 -12.746 0.759 1.00 0.00 H new ATOM 0 HA ILE A 88 0.643 -12.272 1.828 1.00 0.00 H new ATOM 0 HB ILE A 88 1.582 -13.730 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.406 -10.958 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.114 -11.299 -0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.729 -13.496 -1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.642 -14.530 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.220 -12.853 0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.129 -10.545 -2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.690 -12.228 -2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.045 -11.881 -2.523 1.00 0.00 H new ATOM 1002 N GLY A 89 -0.224 -14.404 2.755 1.00 0.00 N ATOM 1003 CA GLY A 89 -0.704 -15.636 3.353 1.00 0.00 C ATOM 1004 C GLY A 89 -0.128 -15.871 4.737 1.00 0.00 C ATOM 1005 O GLY A 89 -0.352 -16.921 5.340 1.00 0.00 O ATOM 0 H GLY A 89 -0.740 -13.567 3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.792 -15.606 3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.445 -16.475 2.707 1.00 0.00 H new ATOM 1009 N LYS A 90 0.616 -14.892 5.240 1.00 0.00 N ATOM 1010 CA LYS A 90 1.183 -14.976 6.580 1.00 0.00 C ATOM 1011 C LYS A 90 0.432 -14.067 7.547 1.00 0.00 C ATOM 1012 O LYS A 90 0.057 -12.949 7.198 1.00 0.00 O ATOM 1013 CB LYS A 90 2.669 -14.610 6.557 1.00 0.00 C ATOM 1014 CG LYS A 90 3.590 -15.743 6.126 1.00 0.00 C ATOM 1015 CD LYS A 90 3.735 -15.794 4.613 1.00 0.00 C ATOM 1016 CE LYS A 90 4.081 -17.197 4.135 1.00 0.00 C ATOM 1017 NZ LYS A 90 5.361 -17.684 4.721 1.00 0.00 N ATOM 0 H LYS A 90 0.840 -14.032 4.740 1.00 0.00 H new ATOM 0 HA LYS A 90 1.080 -16.005 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.812 -13.766 5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.964 -14.277 7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.571 -15.611 6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.195 -16.693 6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.806 -15.468 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.512 -15.098 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.276 -17.881 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.155 -17.202 3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.621 -18.590 4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.111 -16.986 4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.245 -17.817 5.746 1.00 0.00 H new ATOM 1031 N GLN A 91 0.216 -14.557 8.766 1.00 0.00 N ATOM 1032 CA GLN A 91 -0.446 -13.770 9.798 1.00 0.00 C ATOM 1033 C GLN A 91 0.566 -12.946 10.587 1.00 0.00 C ATOM 1034 O GLN A 91 1.137 -13.421 11.569 1.00 0.00 O ATOM 1035 CB GLN A 91 -1.230 -14.679 10.748 1.00 0.00 C ATOM 1036 CG GLN A 91 -2.010 -13.937 11.819 1.00 0.00 C ATOM 1037 CD GLN A 91 -3.109 -13.068 11.238 1.00 0.00 C ATOM 1038 OE1 GLN A 91 -3.857 -13.498 10.354 1.00 0.00 O ATOM 1039 NE2 GLN A 91 -3.212 -11.838 11.727 1.00 0.00 N ATOM 0 H GLN A 91 0.490 -15.494 9.061 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.141 -13.089 9.305 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -1.923 -15.285 10.164 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.535 -15.366 11.231 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.448 -14.657 12.510 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.326 -13.315 12.397 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.573 -11.524 12.457 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.931 -11.207 11.373 1.00 0.00 H new ATOM 1048 N LEU A 92 0.784 -11.710 10.151 1.00 0.00 N ATOM 1049 CA LEU A 92 1.790 -10.850 10.764 1.00 0.00 C ATOM 1050 C LEU A 92 1.132 -9.743 11.583 1.00 0.00 C ATOM 1051 O LEU A 92 0.202 -9.074 11.136 1.00 0.00 O ATOM 1052 CB LEU A 92 2.702 -10.249 9.688 1.00 0.00 C ATOM 1053 CG LEU A 92 3.414 -11.270 8.792 1.00 0.00 C ATOM 1054 CD1 LEU A 92 4.149 -10.554 7.667 1.00 0.00 C ATOM 1055 CD2 LEU A 92 4.383 -12.093 9.629 1.00 0.00 C ATOM 0 H LEU A 92 0.278 -11.281 9.376 1.00 0.00 H new ATOM 0 HA LEU A 92 2.395 -11.457 11.437 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.107 -9.588 9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.455 -9.630 10.176 1.00 0.00 H new ATOM 0 HG LEU A 92 2.677 -11.939 8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.651 -11.287 7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.435 -9.988 7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.887 -9.873 8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.889 -12.818 8.992 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.121 -11.433 10.085 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.834 -12.618 10.411 1.00 0.00 H new ATOM 1067 N PRO A 93 1.626 -9.546 12.815 1.00 0.00 N ATOM 1068 CA PRO A 93 1.129 -8.496 13.708 1.00 0.00 C ATOM 1069 C PRO A 93 1.688 -7.121 13.358 1.00 0.00 C ATOM 1070 O PRO A 93 2.293 -6.453 14.196 1.00 0.00 O ATOM 1071 CB PRO A 93 1.626 -8.939 15.088 1.00 0.00 C ATOM 1072 CG PRO A 93 2.914 -9.636 14.819 1.00 0.00 C ATOM 1073 CD PRO A 93 2.732 -10.356 13.511 1.00 0.00 C ATOM 0 HA PRO A 93 0.046 -8.387 13.643 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.768 -8.085 15.751 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.910 -9.603 15.573 1.00 0.00 H new ATOM 0 HG2 PRO A 93 3.738 -8.924 14.761 1.00 0.00 H new ATOM 0 HG3 PRO A 93 3.153 -10.336 15.620 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.652 -10.367 12.926 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.437 -11.395 13.661 1.00 0.00 H new ATOM 1081 N LEU A 94 1.483 -6.704 12.112 1.00 0.00 N ATOM 1082 CA LEU A 94 2.013 -5.433 11.634 1.00 0.00 C ATOM 1083 C LEU A 94 3.519 -5.350 11.865 1.00 0.00 C ATOM 1084 O LEU A 94 4.070 -4.265 12.046 1.00 0.00 O ATOM 1085 CB LEU A 94 1.299 -4.266 12.327 1.00 0.00 C ATOM 1086 CG LEU A 94 -0.226 -4.249 12.171 1.00 0.00 C ATOM 1087 CD1 LEU A 94 -0.816 -3.072 12.937 1.00 0.00 C ATOM 1088 CD2 LEU A 94 -0.586 -4.166 10.696 1.00 0.00 C ATOM 0 H LEU A 94 0.953 -7.228 11.416 1.00 0.00 H new ATOM 0 HA LEU A 94 1.831 -5.368 10.561 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.539 -4.294 13.390 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.699 -3.331 11.934 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.643 -5.168 12.582 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.900 -3.068 12.820 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.565 -3.163 13.994 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.406 -2.141 12.546 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.670 -4.154 10.586 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.168 -3.254 10.270 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.178 -5.031 10.173 1.00 0.00 H new ATOM 1100 N ASN A 95 4.178 -6.504 11.855 1.00 0.00 N ATOM 1101 CA ASN A 95 5.626 -6.560 12.031 1.00 0.00 C ATOM 1102 C ASN A 95 6.341 -6.402 10.693 1.00 0.00 C ATOM 1103 O ASN A 95 7.031 -5.408 10.461 1.00 0.00 O ATOM 1104 CB ASN A 95 6.055 -7.847 12.709 1.00 0.00 C ATOM 1105 CG ASN A 95 7.518 -7.891 13.054 1.00 0.00 C ATOM 1106 OD1 ASN A 95 8.329 -7.141 12.499 1.00 0.00 O ATOM 1107 ND2 ASN A 95 7.871 -8.820 13.904 1.00 0.00 N ATOM 0 H ASN A 95 3.733 -7.413 11.727 1.00 0.00 H new ATOM 0 HA ASN A 95 5.908 -5.730 12.678 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.472 -7.979 13.620 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.820 -8.687 12.056 1.00 0.00 H new ATOM 0 HD21 ASN A 95 8.855 -8.951 14.136 1.00 0.00 H new ATOM 0 HD22 ASN A 95 7.162 -9.413 14.335 1.00 0.00 H new ATOM 1114 N GLN A 96 6.172 -7.386 9.817 1.00 0.00 N ATOM 1115 CA GLN A 96 6.755 -7.330 8.482 1.00 0.00 C ATOM 1116 C GLN A 96 5.669 -7.196 7.419 1.00 0.00 C ATOM 1117 O GLN A 96 5.904 -7.467 6.242 1.00 0.00 O ATOM 1118 CB GLN A 96 7.598 -8.579 8.210 1.00 0.00 C ATOM 1119 CG GLN A 96 8.701 -8.820 9.226 1.00 0.00 C ATOM 1120 CD GLN A 96 9.788 -7.765 9.161 1.00 0.00 C ATOM 1121 OE1 GLN A 96 10.335 -7.483 8.091 1.00 0.00 O ATOM 1122 NE2 GLN A 96 10.112 -7.178 10.308 1.00 0.00 N ATOM 0 H GLN A 96 5.636 -8.232 10.008 1.00 0.00 H new ATOM 0 HA GLN A 96 7.398 -6.451 8.435 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.942 -9.449 8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.044 -8.493 7.219 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.272 -8.834 10.228 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.141 -9.802 9.054 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.634 -7.442 11.169 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.839 -6.463 10.327 1.00 0.00 H new ATOM 1131 N ALA A 97 4.482 -6.778 7.844 1.00 0.00 N ATOM 1132 CA ALA A 97 3.356 -6.620 6.929 1.00 0.00 C ATOM 1133 C ALA A 97 3.670 -5.596 5.844 1.00 0.00 C ATOM 1134 O ALA A 97 4.107 -4.483 6.136 1.00 0.00 O ATOM 1135 CB ALA A 97 2.107 -6.216 7.697 1.00 0.00 C ATOM 0 H ALA A 97 4.274 -6.543 8.814 1.00 0.00 H new ATOM 0 HA ALA A 97 3.175 -7.579 6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.274 -6.101 7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.865 -6.986 8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.285 -5.271 8.210 1.00 0.00 H new ATOM 1141 N ARG A 98 3.442 -5.978 4.593 1.00 0.00 N ATOM 1142 CA ARG A 98 3.643 -5.073 3.467 1.00 0.00 C ATOM 1143 C ARG A 98 2.461 -5.130 2.505 1.00 0.00 C ATOM 1144 O ARG A 98 2.637 -5.089 1.287 1.00 0.00 O ATOM 1145 CB ARG A 98 4.961 -5.329 2.750 1.00 0.00 C ATOM 1146 CG ARG A 98 6.203 -5.145 3.609 1.00 0.00 C ATOM 1147 CD ARG A 98 6.490 -3.736 3.975 1.00 0.00 C ATOM 1148 NE ARG A 98 7.740 -3.543 4.695 1.00 0.00 N ATOM 1149 CZ ARG A 98 7.871 -3.617 6.034 1.00 0.00 C ATOM 1150 NH1 ARG A 98 6.831 -3.841 6.805 1.00 0.00 N ATOM 1151 NH2 ARG A 98 9.072 -3.435 6.554 1.00 0.00 N ATOM 0 H ARG A 98 3.117 -6.909 4.332 1.00 0.00 H new ATOM 0 HA ARG A 98 3.700 -4.062 3.871 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.954 -6.347 2.360 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.028 -4.659 1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.088 -5.729 4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.062 -5.552 3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.512 -3.135 3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.671 -3.359 4.587 1.00 0.00 H new ATOM 0 HE ARG A 98 8.576 -3.337 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.906 -3.962 6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.948 -3.894 7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.868 -3.245 5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.203 -3.485 7.564 1.00 0.00 H new ATOM 1165 N ALA A 99 1.257 -5.226 3.059 1.00 0.00 N ATOM 1166 CA ALA A 99 0.050 -5.341 2.249 1.00 0.00 C ATOM 1167 C ALA A 99 -1.160 -4.777 2.986 1.00 0.00 C ATOM 1168 O ALA A 99 -1.316 -4.977 4.191 1.00 0.00 O ATOM 1169 CB ALA A 99 -0.192 -6.794 1.869 1.00 0.00 C ATOM 0 H ALA A 99 1.091 -5.226 4.065 1.00 0.00 H new ATOM 0 HA ALA A 99 0.194 -4.757 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.096 -6.866 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.658 -7.167 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.311 -7.391 2.773 1.00 0.00 H new ATOM 1175 N TRP A 100 -2.013 -4.069 2.255 1.00 0.00 N ATOM 1176 CA TRP A 100 -3.209 -3.472 2.839 1.00 0.00 C ATOM 1177 C TRP A 100 -4.435 -3.754 1.978 1.00 0.00 C ATOM 1178 O TRP A 100 -4.407 -3.566 0.763 1.00 0.00 O ATOM 1179 CB TRP A 100 -3.024 -1.964 3.014 1.00 0.00 C ATOM 1180 CG TRP A 100 -1.753 -1.595 3.719 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -1.606 -1.329 5.047 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -0.454 -1.451 3.132 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -0.296 -1.028 5.327 1.00 0.00 N ATOM 1184 CE2 TRP A 100 0.433 -1.098 4.166 1.00 0.00 C ATOM 1185 CE3 TRP A 100 0.046 -1.589 1.832 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 1.783 -0.879 3.944 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.401 -1.370 1.610 1.00 0.00 C ATOM 1188 CH2 TRP A 100 2.245 -1.026 2.636 1.00 0.00 C ATOM 0 H TRP A 100 -1.899 -3.894 1.257 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.366 -3.923 3.819 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -3.038 -1.488 2.033 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.870 -1.565 3.574 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -2.404 -1.352 5.774 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.075 -0.791 6.247 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.608 -1.860 1.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 2.449 -0.606 4.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.797 -1.473 0.610 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.292 -0.865 2.426 1.00 0.00 H new ATOM 1199 N SER A 101 -5.510 -4.205 2.617 1.00 0.00 N ATOM 1200 CA SER A 101 -6.736 -4.547 1.903 1.00 0.00 C ATOM 1201 C SER A 101 -7.365 -3.305 1.278 1.00 0.00 C ATOM 1202 O SER A 101 -7.221 -2.197 1.794 1.00 0.00 O ATOM 1203 CB SER A 101 -7.716 -5.223 2.842 1.00 0.00 C ATOM 1204 OG SER A 101 -8.195 -4.347 3.824 1.00 0.00 O ATOM 0 H SER A 101 -5.557 -4.342 3.627 1.00 0.00 H new ATOM 0 HA SER A 101 -6.485 -5.239 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.555 -5.617 2.268 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.231 -6.073 3.321 1.00 0.00 H new ATOM 0 HG SER A 101 -8.824 -4.821 4.407 1.00 0.00 H new ATOM 1210 N TRP A 102 -8.059 -3.499 0.163 1.00 0.00 N ATOM 1211 CA TRP A 102 -8.829 -2.426 -0.454 1.00 0.00 C ATOM 1212 C TRP A 102 -9.911 -1.916 0.492 1.00 0.00 C ATOM 1213 O TRP A 102 -10.272 -0.739 0.461 1.00 0.00 O ATOM 1214 CB TRP A 102 -9.463 -2.909 -1.759 1.00 0.00 C ATOM 1215 CG TRP A 102 -8.574 -2.734 -2.953 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -8.105 -3.716 -3.776 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -8.048 -1.501 -3.456 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -7.317 -3.169 -4.760 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -7.268 -1.811 -4.586 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -8.161 -0.165 -3.062 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -6.606 -0.833 -5.323 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -7.503 0.804 -3.794 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -6.733 0.465 -4.915 1.00 0.00 C ATOM 0 H TRP A 102 -8.104 -4.389 -0.332 1.00 0.00 H new ATOM 0 HA TRP A 102 -8.147 -1.604 -0.672 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.723 -3.963 -1.660 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.393 -2.366 -1.925 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.321 -4.769 -3.670 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.845 -3.689 -5.500 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.753 0.105 -2.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.012 -1.091 -6.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.583 1.840 -3.498 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.230 1.245 -5.467 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.422 -2.808 1.335 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.409 -2.431 2.340 1.00 0.00 C ATOM 1236 C GLU A 103 -10.792 -1.504 3.384 1.00 0.00 C ATOM 1237 O GLU A 103 -11.412 -0.532 3.813 1.00 0.00 O ATOM 1238 CB GLU A 103 -11.992 -3.675 3.014 1.00 0.00 C ATOM 1239 CG GLU A 103 -12.895 -4.509 2.119 1.00 0.00 C ATOM 1240 CD GLU A 103 -13.346 -5.763 2.814 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -12.914 -5.996 3.918 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -14.208 -6.432 2.292 1.00 0.00 O ATOM 0 H GLU A 103 -10.169 -3.796 1.342 1.00 0.00 H new ATOM 0 HA GLU A 103 -12.216 -1.896 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.172 -4.301 3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.557 -3.366 3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.764 -3.920 1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.363 -4.769 1.204 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.565 -1.816 3.793 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.814 -0.945 4.690 1.00 0.00 C ATOM 1251 C PHE A 104 -8.519 0.396 4.026 1.00 0.00 C ATOM 1252 O PHE A 104 -8.670 1.453 4.641 1.00 0.00 O ATOM 1253 CB PHE A 104 -7.510 -1.619 5.124 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.681 -0.786 6.060 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.984 -0.730 7.412 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.598 -0.059 5.591 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -6.220 0.035 8.275 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.834 0.705 6.450 1.00 0.00 C ATOM 1259 CZ PHE A 104 -5.145 0.752 7.794 1.00 0.00 C ATOM 0 H PHE A 104 -9.071 -2.665 3.517 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.425 -0.763 5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.745 -2.567 5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.919 -1.851 4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.825 -1.289 7.795 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.349 -0.091 4.541 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.466 0.071 9.326 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.993 1.266 6.070 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.548 1.349 8.467 1.00 0.00 H new ATOM 1269 N ILE A 105 -8.095 0.346 2.767 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.789 1.557 2.017 1.00 0.00 C ATOM 1271 C ILE A 105 -9.014 2.457 1.901 1.00 0.00 C ATOM 1272 O ILE A 105 -8.917 3.677 2.037 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.267 1.230 0.606 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -5.894 0.560 0.686 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.200 2.490 -0.243 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.443 -0.070 -0.612 1.00 0.00 C ATOM 0 H ILE A 105 -7.956 -0.520 2.246 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.009 2.081 2.569 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.961 0.535 0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.156 1.301 0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.919 -0.206 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.829 2.240 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.196 2.926 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.527 3.209 0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.462 -0.524 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.158 -0.836 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.384 0.695 -1.386 1.00 0.00 H new ATOM 1288 N LYS A 106 -10.169 1.848 1.652 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.425 2.585 1.581 1.00 0.00 C ATOM 1290 C LYS A 106 -11.766 3.206 2.932 1.00 0.00 C ATOM 1291 O LYS A 106 -12.195 4.357 3.006 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.559 1.670 1.117 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.526 1.333 -0.368 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.517 0.229 -0.706 1.00 0.00 C ATOM 1295 CE LYS A 106 -14.953 0.691 -0.503 1.00 0.00 C ATOM 1296 NZ LYS A 106 -15.934 -0.361 -0.882 1.00 0.00 N ATOM 0 H LYS A 106 -10.261 0.844 1.496 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.306 3.388 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.519 0.743 1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.512 2.146 1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.758 2.224 -0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.520 1.021 -0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.377 -0.084 -1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.321 -0.642 -0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.101 0.966 0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.134 1.587 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.900 -0.007 -0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.810 -0.606 -1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.779 -1.207 -0.297 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.574 2.436 3.997 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.823 2.925 5.349 1.00 0.00 C ATOM 1312 C ASN A 107 -10.898 4.091 5.684 1.00 0.00 C ATOM 1313 O ASN A 107 -11.286 5.023 6.390 1.00 0.00 O ATOM 1314 CB ASN A 107 -11.672 1.819 6.378 1.00 0.00 C ATOM 1315 CG ASN A 107 -12.800 0.826 6.369 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -13.900 1.109 5.881 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -12.560 -0.307 6.980 1.00 0.00 N ATOM 0 H ASN A 107 -11.247 1.471 3.951 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.854 3.277 5.383 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.735 1.292 6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.601 2.265 7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -13.299 -1.004 7.070 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.634 -0.492 7.366 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.672 4.034 5.173 1.00 0.00 N ATOM 1325 CA ARG A 108 -8.712 5.115 5.364 1.00 0.00 C ATOM 1326 C ARG A 108 -9.190 6.391 4.677 1.00 0.00 C ATOM 1327 O ARG A 108 -9.036 7.492 5.210 1.00 0.00 O ATOM 1328 CB ARG A 108 -7.312 4.727 4.915 1.00 0.00 C ATOM 1329 CG ARG A 108 -6.545 3.854 5.895 1.00 0.00 C ATOM 1330 CD ARG A 108 -6.095 4.562 7.121 1.00 0.00 C ATOM 1331 NE ARG A 108 -5.341 5.780 6.872 1.00 0.00 N ATOM 1332 CZ ARG A 108 -4.865 6.596 7.833 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -5.093 6.351 9.104 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -4.182 7.665 7.462 1.00 0.00 N ATOM 0 H ARG A 108 -9.320 3.250 4.623 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.650 5.311 6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.384 4.202 3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.739 5.636 4.735 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.175 3.014 6.185 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.674 3.439 5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.969 4.808 7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.480 3.883 7.712 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.159 6.035 5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.638 5.533 9.376 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.725 6.979 9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.028 7.853 6.471 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -3.809 8.302 8.166 1.00 0.00 H new ATOM 1348 N LEU A 109 -9.769 6.239 3.490 1.00 0.00 N ATOM 1349 CA LEU A 109 -10.312 7.373 2.751 1.00 0.00 C ATOM 1350 C LEU A 109 -11.617 7.856 3.379 1.00 0.00 C ATOM 1351 O LEU A 109 -11.954 9.038 3.303 1.00 0.00 O ATOM 1352 CB LEU A 109 -10.534 6.992 1.281 1.00 0.00 C ATOM 1353 CG LEU A 109 -9.254 6.733 0.475 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -9.608 6.172 -0.895 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -8.465 8.028 0.342 1.00 0.00 C ATOM 0 H LEU A 109 -9.874 5.340 3.019 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.591 8.189 2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.156 6.097 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.095 7.791 0.796 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.637 6.000 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.694 5.991 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.152 5.235 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.231 6.888 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -7.556 7.843 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.072 8.773 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.201 8.396 1.333 1.00 0.00 H new ATOM 1367 N LYS A 110 -12.345 6.936 4.003 1.00 0.00 N ATOM 1368 CA LYS A 110 -13.560 7.284 4.729 1.00 0.00 C ATOM 1369 C LYS A 110 -13.238 8.126 5.958 1.00 0.00 C ATOM 1370 O LYS A 110 -14.048 8.945 6.391 1.00 0.00 O ATOM 1371 CB LYS A 110 -14.321 6.021 5.139 1.00 0.00 C ATOM 1372 CG LYS A 110 -15.069 5.340 4.000 1.00 0.00 C ATOM 1373 CD LYS A 110 -15.739 4.057 4.469 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.518 3.395 3.342 1.00 0.00 C ATOM 1375 NZ LYS A 110 -17.193 2.148 3.790 1.00 0.00 N ATOM 0 H LYS A 110 -12.114 5.943 4.020 1.00 0.00 H new ATOM 0 HA LYS A 110 -14.191 7.874 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.616 5.311 5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.033 6.279 5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -15.821 6.019 3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.376 5.116 3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -14.984 3.367 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.412 4.278 5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.262 4.092 2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.841 3.165 2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.712 1.729 2.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.481 1.472 4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.858 2.370 4.558 1.00 0.00 H new ATOM 1389 N GLU A 111 -12.048 7.921 6.515 1.00 0.00 N ATOM 1390 CA GLU A 111 -11.565 8.751 7.612 1.00 0.00 C ATOM 1391 C GLU A 111 -11.234 10.158 7.126 1.00 0.00 C ATOM 1392 O GLU A 111 -11.061 11.080 7.924 1.00 0.00 O ATOM 1393 CB GLU A 111 -10.336 8.115 8.267 1.00 0.00 C ATOM 1394 CG GLU A 111 -10.635 6.869 9.088 1.00 0.00 C ATOM 1395 CD GLU A 111 -9.372 6.238 9.603 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -8.315 6.735 9.297 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -9.465 5.328 10.392 1.00 0.00 O ATOM 0 H GLU A 111 -11.401 7.188 6.224 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.360 8.823 8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.617 7.859 7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.859 8.854 8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.282 7.130 9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.180 6.150 8.476 1.00 0.00 H new ATOM 1404 N LEU A 112 -11.146 10.318 5.809 1.00 0.00 N ATOM 1405 CA LEU A 112 -10.837 11.614 5.214 1.00 0.00 C ATOM 1406 C LEU A 112 -12.099 12.277 4.672 1.00 0.00 C ATOM 1407 O LEU A 112 -12.039 13.077 3.740 1.00 0.00 O ATOM 1408 CB LEU A 112 -9.796 11.453 4.099 1.00 0.00 C ATOM 1409 CG LEU A 112 -8.472 10.809 4.531 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -7.551 10.653 3.327 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -7.816 11.664 5.605 1.00 0.00 C ATOM 0 H LEU A 112 -11.284 9.566 5.133 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.422 12.257 5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.231 10.851 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.583 12.435 3.677 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.666 9.819 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.614 10.195 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.031 10.019 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.349 11.633 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.876 11.206 5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.622 12.661 5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.480 11.739 6.466 1.00 0.00 H new ATOM 1423 N ASN A 113 -13.240 11.942 5.265 1.00 0.00 N ATOM 1424 CA ASN A 113 -14.515 12.519 4.854 1.00 0.00 C ATOM 1425 C ASN A 113 -14.523 14.029 5.073 1.00 0.00 C ATOM 1426 O ASN A 113 -14.120 14.516 6.129 1.00 0.00 O ATOM 1427 CB ASN A 113 -15.679 11.873 5.580 1.00 0.00 C ATOM 1428 CG ASN A 113 -17.026 12.342 5.104 1.00 0.00 C ATOM 1429 OD1 ASN A 113 -17.436 13.479 5.361 1.00 0.00 O ATOM 1430 ND2 ASN A 113 -17.748 11.445 4.480 1.00 0.00 N ATOM 0 H ASN A 113 -13.308 11.273 6.032 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.634 12.321 3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.617 10.792 5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -15.589 12.078 6.647 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.697 11.671 4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.362 10.520 4.292 1.00 0.00 H new ATOM 1437 N LEU A 114 -14.989 14.763 4.069 1.00 0.00 N ATOM 1438 CA LEU A 114 -14.996 16.221 4.128 1.00 0.00 C ATOM 1439 C LEU A 114 -16.406 16.749 4.376 1.00 0.00 C ATOM 1440 O LEU A 114 -16.674 17.373 5.403 1.00 0.00 O ATOM 1441 CB LEU A 114 -14.426 16.808 2.830 1.00 0.00 C ATOM 1442 CG LEU A 114 -12.994 16.372 2.490 1.00 0.00 C ATOM 1443 CD1 LEU A 114 -12.568 16.974 1.158 1.00 0.00 C ATOM 1444 CD2 LEU A 114 -12.052 16.805 3.604 1.00 0.00 C ATOM 1445 OXT LEU A 114 -17.269 16.556 3.567 1.00 0.00 O ATOM 0 H LEU A 114 -15.367 14.374 3.205 1.00 0.00 H new ATOM 0 HA LEU A 114 -14.366 16.532 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -15.080 16.527 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -14.451 17.895 2.900 1.00 0.00 H new ATOM 0 HG LEU A 114 -12.956 15.286 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.551 16.659 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.242 16.633 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.606 18.061 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -11.035 16.495 3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.086 17.890 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.359 16.341 4.541 1.00 0.00 H new TER 1457 LEU A 114